3,3,5-Trimethylcyclohexane
Properties
- Molecular formula
- C9H18
- Molar mass
- 126.24 g/mol
- Exact mass
- 126.1409 Da
- Density
- 0.7868 g/mL (at 25 °C)
- Melting point
- −65.7 °C
- Boiling point
- 136.6 °C
- logP
- 3.22Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
3073-66-3SMILES
CC1CCCC(C)(C)C1InChIKey
PYOLJOJPIPCRDP-UHFFFAOYSA-NInChI
InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclohexane, 1,1,3-trimethyl-
- 1,1,3-Trimethylcyclohexane
- Cyclogeraniolane
- NSC 73965
Work with 3,3,5-Trimethylcyclohexane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,1,4-Trimethylcyclohexane7094-27-150 % similar
(+-)-2,2,4,4,6,8,8-Heptamethylnonane4390-04-941 % similar
Methylcyclopentane96-37-741 % similar
3,7-Dimethyl-1,7-octanediol107-74-441 % similar
3,3,5-Trimethylcyclohexanol116-02-940 % similar
Methylcyclohexane108-87-239 % similar
1,1-Dimethylcyclohexane590-66-939 % similar
1,3-Dimethylcyclohexane591-21-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.